2-[5-[(2-carboxy-5-methoxycarbonyl-phenyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate

Systemtic Name: 2-[5-[(2-carboxy-5-methoxycarbonyl-phenyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate Openeye Name: 2-[5-[(2-carboxy-5-methoxycarbonyl-phenyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate CAS Name: 2-[5-[(2-carboxy-5-methoxycarbonylanilino)-oxomethyl]-1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]ethanethioate IUPAC Name: 2-[5-[(2-carboxy-5-methoxycarbonylphenyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate Traditional Name: 2-[5-[(5-carbomethoxy-2-carboxy-phenyl)carbamoyl]-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-3-yl]thioacetate Formula: C24H22N3O10S- MolecularWeight: 544.51058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)O)NC(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=S)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)O)NC(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=S)[O-]

InChI

InChI=1S/C24H23N3O10S/c1-36-23(32)15-4-7-17(22(30)31)18(10-15)25-21(29)19-8-14(9-20(28)38)11-26(19)24(33)37-12-13-2-5-16(6-3-13)27(34)35/h2-7,10,14,19H,8-9,11-12H2,1H3,(H,25,29)(H,28,38)(H,30,31)/p-1